2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol

C16H28N2O2 — CID 63070701

IUPAC2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
SMILESCOCCNCc1ccc(N(CCO)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2O2/c1-13(2)18(8-9-19)16-6-5-15(11-14(16)3)12-17-7-10-20-4/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeySZXOXNDKIPEBGF-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds9

About 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol

2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol (PubChem CID 63070701) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
PubChem CID63070701
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
SMILESCOCCNCc1ccc(N(CCO)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2O2/c1-13(2)18(8-9-19)16-6-5-15(11-14(16)3)12-17-7-10-20-4/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeySZXOXNDKIPEBGF-UHFFFAOYSA-N
XLogP1.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol (CID 63070701) is 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol is COCCNCc1ccc(N(CCO)C(C)C)c(C)c1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol?
The InChIKey is SZXOXNDKIPEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)18(8-9-19)16-6-5-15(11-14(16)3)12-17-7-10-20-4/h5-6,11,13,17,19H,7-10,12H2,1-4H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol?
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol has a molecular weight of 280.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 63070701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).